1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one

C15H27NO — CID 66107206

IUPAC1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one
SMILESCC(C)C1CCCC2(CC1)CC(=O)NC2(C)C
InChIInChI=1S/C15H27NO/c1-11(2)12-6-5-8-15(9-7-12)10-13(17)16-14(15,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyQDJAYZVDNWXBAI-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.51
Rot. Bonds1

About 1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one

1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one (PubChem CID 66107206) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one
PubChem CID66107206
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one
SMILESCC(C)C1CCCC2(CC1)CC(=O)NC2(C)C
InChIInChI=1S/C15H27NO/c1-11(2)12-6-5-8-15(9-7-12)10-13(17)16-14(15,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyQDJAYZVDNWXBAI-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one?
The IUPAC name of 1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one (CID 66107206) is 1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one.
What is the SMILES notation for 1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one?
The canonical SMILES for 1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one is CC(C)C1CCCC2(CC1)CC(=O)NC2(C)C.
What is the InChIKey of 1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one?
The InChIKey is QDJAYZVDNWXBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11(2)12-6-5-8-15(9-7-12)10-13(17)16-14(15,3)4/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one?
1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one has a molecular weight of 237.39 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one is sourced from PubChem (CID 66107206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).